==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-DEC-07 3BK1 . COMPND 2 MOLECULE: METAL DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR I.L.DE LA SIERRA-GALLAY,L.ZIG,H.PUTZER . 551 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 47 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 0 2 1 0 1 1 6 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 3 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A G 0 0 79 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.9 93.3 -19.9 20.2 2 6 A P + 0 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.989 360.0 42.6 -74.7 -72.2 92.2 -19.7 23.9 3 7 A Q S S+ 0 0 137 1,-0.1 2,-1.1 23,-0.0 24,-0.2 0.584 96.3 97.7 -53.8 -10.5 93.0 -16.1 25.0 4 8 A D + 0 0 28 22,-0.1 2,-0.3 155,-0.0 426,-0.2 -0.695 53.8 102.4 -90.3 96.8 91.4 -15.1 21.6 5 9 A H - 0 0 33 -2,-1.1 22,-0.6 424,-0.1 2,-0.4 -0.881 57.3-134.2-171.7 137.7 87.8 -14.1 22.2 6 10 A V E -AB 26 428A 0 422,-2.5 422,-2.7 -2,-0.3 2,-0.5 -0.789 18.5-146.7 -96.6 138.2 85.8 -10.9 22.5 7 11 A E E -AB 25 427A 35 18,-2.8 18,-2.0 -2,-0.4 2,-0.5 -0.919 8.6-164.5-108.3 130.6 83.3 -10.6 25.3 8 12 A I E -AB 24 426A 0 418,-2.2 418,-2.6 -2,-0.5 16,-0.2 -0.967 8.2-178.8-115.6 119.0 80.1 -8.6 24.7 9 13 A I E -A 23 0A 1 14,-2.9 14,-2.7 -2,-0.5 2,-0.4 -0.908 10.3-160.0-124.6 103.5 78.2 -7.6 27.8 10 14 A P E +A 22 0A 0 0, 0.0 413,-3.8 0, 0.0 414,-0.3 -0.665 13.6 176.0 -81.1 129.8 74.9 -5.7 27.4 11 15 A L E S- 0 0 1 10,-2.4 431,-0.4 1,-0.4 42,-0.4 0.496 71.1 -0.3-110.3 -7.4 73.9 -3.8 30.5 12 16 A G E S+A 21 0A 0 9,-1.2 9,-1.8 40,-0.1 -1,-0.4 -0.940 107.0 54.3-172.7 153.6 70.9 -2.1 28.9 13 17 A G S S+ 0 0 0 5,-0.3 381,-1.4 1,-0.3 382,-0.6 0.385 75.0 114.7 96.3 -5.8 69.1 -1.9 25.6 14 18 A X B S+h 395 0B 7 1,-0.2 408,-0.5 379,-0.2 -1,-0.3 -0.869 87.4 1.9-102.2 131.9 68.6 -5.7 25.2 15 19 A G S S+ 0 0 29 380,-0.8 382,-0.5 -2,-0.5 2,-0.3 0.711 131.1 59.8 69.3 17.9 65.1 -7.1 25.1 16 20 A E B S-I 395 0B 41 379,-0.6 379,-1.0 -3,-0.4 2,-0.6 -0.972 83.6-114.0-163.5 169.3 63.9 -3.5 25.5 17 21 A I S S+ 0 0 52 -2,-0.3 2,-0.2 377,-0.2 -3,-0.1 -0.912 80.0 38.9-116.8 100.4 63.9 -0.1 23.9 18 22 A G S S+ 0 0 4 -2,-0.6 -5,-0.3 57,-0.1 20,-0.3 -0.744 80.0 51.9 145.3 168.4 65.9 2.3 26.2 19 23 A K - 0 0 16 18,-3.1 2,-0.3 -2,-0.2 19,-0.2 0.834 69.4-165.4 35.2 56.8 68.9 2.8 28.4 20 24 A N + 0 0 2 55,-2.0 16,-2.7 17,-0.3 2,-0.3 -0.481 24.9 145.3 -73.2 130.4 71.4 1.5 25.9 21 25 A I E -A 12 0A 0 -9,-1.8 -10,-2.4 -2,-0.3 -9,-1.2 -0.835 19.1-175.1-166.5 124.0 74.9 0.5 27.0 22 26 A T E -AC 10 33A 3 11,-1.9 11,-3.1 12,-0.3 2,-0.4 -0.992 12.9-147.8-130.4 131.5 77.0 -2.3 25.7 23 27 A V E -AC 9 32A 0 -14,-2.7 -14,-2.9 -2,-0.4 2,-0.4 -0.845 10.8-167.0-102.4 133.8 80.4 -3.3 27.0 24 28 A F E +AC 8 31A 0 7,-2.7 7,-1.9 -2,-0.4 2,-0.3 -0.953 10.5 178.7-118.4 139.0 83.1 -4.8 24.7 25 29 A R E -AC 7 30A 41 -18,-2.0 -18,-2.8 -2,-0.4 2,-0.4 -0.997 20.5-179.1-146.4 140.9 86.2 -6.5 26.0 26 30 A F E > S-AC 6 29A 2 3,-2.0 3,-2.0 -2,-0.3 2,-0.3 -0.967 73.4 -47.6-135.4 116.7 89.3 -8.3 24.7 27 31 A R T 3 S- 0 0 118 -22,-0.6 -23,-0.0 -2,-0.4 -20,-0.0 -0.409 125.5 -17.6 58.6-114.1 91.7 -9.7 27.3 28 32 A D T 3 S+ 0 0 95 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.147 116.0 92.0-110.6 21.3 92.1 -6.8 29.8 29 33 A E E < -C 26 0A 15 -3,-2.0 -3,-2.0 35,-0.1 2,-0.3 -0.960 50.2-174.9-120.7 132.9 90.9 -3.8 27.7 30 34 A I E -Cd 25 64A 0 33,-3.4 35,-3.7 -2,-0.5 36,-0.7 -0.881 10.5-178.6-123.4 151.3 87.3 -2.6 27.7 31 35 A F E -Cd 24 66A 0 -7,-1.9 -7,-2.7 -2,-0.3 2,-0.4 -0.977 19.2-140.0-144.1 146.1 85.4 0.1 25.8 32 36 A V E -Cd 23 67A 0 34,-1.9 36,-3.5 -2,-0.3 2,-0.7 -0.898 2.8-144.9-113.1 141.3 81.8 1.0 26.3 33 37 A L E -Cd 22 68A 3 -11,-3.1 -11,-1.9 -2,-0.4 36,-0.2 -0.909 64.6 -39.3-107.5 109.2 79.2 1.8 23.6 34 38 A D - 0 0 4 34,-3.5 -12,-0.3 -2,-0.7 43,-0.2 0.273 46.8-138.4 62.3 170.5 76.8 4.5 24.9 35 39 A G + 0 0 0 41,-3.4 44,-1.8 -14,-0.1 45,-1.0 -0.406 34.9 168.1-162.7 72.3 75.2 5.0 28.3 36 40 A G - 0 0 0 -16,-2.7 39,-0.3 39,-0.5 2,-0.2 -0.165 25.6-132.4 -88.4-179.1 71.5 6.0 28.0 37 41 A L - 0 0 8 37,-1.9 -18,-3.1 14,-0.1 2,-0.4 -0.629 14.7-131.4-118.3-179.9 68.6 6.2 30.3 38 42 A A B -J 50 0C 13 12,-2.0 12,-3.1 -20,-0.3 -20,-0.1 -0.991 18.8-124.9-135.3 140.4 65.0 5.0 29.9 39 43 A F - 0 0 18 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.631 29.1-118.0 -84.2 145.6 61.9 7.1 30.5 40 44 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 298,-0.1 -0.638 22.2-128.7 -84.8 143.0 59.4 5.7 33.1 41 45 A E > - 0 0 72 -2,-0.3 3,-0.9 1,-0.2 300,-0.1 -0.515 39.1 -88.1 -82.2 157.2 55.9 4.8 31.9 42 46 A E T 3 S+ 0 0 63 1,-0.2 -1,-0.2 -2,-0.2 302,-0.0 -0.185 112.6 61.6 -58.8 161.9 53.0 6.3 33.8 43 47 A G T 3 S+ 0 0 74 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.217 90.6 79.9 99.0 -13.6 51.9 4.1 36.7 44 48 A X S X S- 0 0 38 -3,-0.9 3,-1.2 3,-0.1 -2,-0.0 -0.518 73.0-178.2-121.4 58.1 55.4 4.6 38.1 45 49 A P T 3 + 0 0 90 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.185 62.0 29.9 -58.8 150.7 54.7 8.1 39.6 46 50 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 2,-0.0 402,-0.3 -0.026 91.4 112.6 89.4 -32.3 57.6 10.0 41.3 47 51 A V < - 0 0 10 -3,-1.2 -1,-0.2 1,-0.2 400,-0.2 -0.631 42.2-177.3 -78.3 124.7 60.2 8.3 39.1 48 52 A D - 0 0 56 398,-2.9 2,-0.3 -2,-0.4 399,-0.2 0.845 62.8 -20.0 -89.5 -37.8 61.8 10.8 36.7 49 53 A L E - K 0 446C 6 397,-1.9 397,-2.7 -10,-0.2 2,-0.4 -0.988 55.9-122.6-166.2 161.8 64.1 8.4 34.8 50 54 A L E -JK 38 445C 16 -12,-3.1 -12,-2.0 -2,-0.3 395,-0.2 -0.893 21.5-169.5-115.0 143.8 65.8 5.0 34.8 51 55 A I E - K 0 444C 0 393,-2.1 393,-2.7 -2,-0.4 -14,-0.1 -0.950 27.6-104.0-131.7 151.7 69.4 4.2 34.5 52 56 A P E - K 0 443C 0 0, 0.0 2,-0.4 0, 0.0 391,-0.2 -0.409 33.5-116.9 -71.2 146.1 71.4 0.9 33.9 53 57 A R - 0 0 74 389,-1.8 389,-0.3 -42,-0.4 3,-0.2 -0.730 27.8-169.6 -83.0 131.0 73.2 -0.6 36.8 54 58 A V > + 0 0 0 -2,-0.4 4,-2.2 1,-0.2 3,-0.4 -0.218 35.2 136.4-118.5 45.7 76.9 -0.6 36.0 55 59 A D H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 74.7 55.5 -54.9 -46.1 78.5 -2.8 38.7 56 60 A Y H > S+ 0 0 15 384,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.851 111.0 43.7 -56.7 -38.6 80.7 -4.6 36.2 57 61 A L H 4 S+ 0 0 0 -3,-0.4 -1,-0.2 2,-0.2 4,-0.2 0.841 110.2 54.3 -77.6 -34.8 82.1 -1.3 35.0 58 62 A I H < S+ 0 0 61 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.863 113.2 44.9 -65.8 -35.4 82.6 0.1 38.5 59 63 A E H < S+ 0 0 142 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.865 122.2 35.6 -75.9 -38.5 84.6 -3.0 39.3 60 64 A H S >X S+ 0 0 34 -4,-1.6 3,-1.9 -5,-0.2 4,-0.5 0.070 75.5 128.5-104.8 24.0 86.7 -3.0 36.1 61 65 A R G >4 + 0 0 103 -3,-0.5 3,-1.9 1,-0.3 -1,-0.2 0.853 67.4 62.5 -46.5 -43.6 87.1 0.8 35.7 62 66 A H G 34 S+ 0 0 146 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.799 100.4 54.0 -55.6 -30.0 90.8 0.5 35.3 63 67 A K G <4 S+ 0 0 49 -3,-1.9 -33,-3.4 -6,-0.1 2,-0.6 0.558 80.5 108.7 -82.7 -9.0 90.4 -1.6 32.1 64 68 A I E << +d 30 0A 6 -3,-1.9 -33,-0.2 -4,-0.5 3,-0.1 -0.590 37.8 172.9 -74.5 113.9 88.1 0.9 30.4 65 69 A K E - 0 0 70 -35,-3.7 2,-0.3 -2,-0.6 69,-0.2 0.577 62.7 -8.2 -97.1 -11.9 90.1 2.5 27.6 66 70 A A E -d 31 0A 2 -36,-0.7 -34,-1.9 28,-0.1 2,-0.4 -0.958 49.8-137.0-176.9 157.8 87.3 4.5 26.0 67 71 A W E -de 32 96A 0 28,-2.6 30,-2.5 -2,-0.3 2,-0.5 -0.999 23.9-160.9-126.6 126.2 83.6 5.3 26.0 68 72 A V E -de 33 97A 1 -36,-3.5 -34,-3.5 -2,-0.4 2,-0.5 -0.942 2.8-162.6-115.5 130.0 82.0 5.7 22.6 69 73 A L - 0 0 2 28,-2.2 30,-0.4 -2,-0.5 3,-0.1 -0.942 7.4-165.4-114.3 125.2 78.6 7.5 22.0 70 74 A T - 0 0 4 -2,-0.5 82,-2.2 1,-0.2 2,-0.3 0.752 68.1 -22.5 -80.0 -29.0 76.7 6.9 18.7 71 75 A H - 0 0 0 80,-0.2 -1,-0.2 2,-0.1 80,-0.1 -0.974 64.9 -94.6-172.1 170.1 74.3 9.9 19.0 72 76 A G + 0 0 1 77,-0.4 2,-0.1 -2,-0.3 79,-0.1 0.199 67.2 128.6 -85.3 15.4 72.6 12.4 21.4 73 77 A H >>> - 0 0 7 1,-0.1 3,-2.2 2,-0.1 4,-1.8 -0.432 68.8-117.3 -69.4 145.2 69.3 10.7 22.1 74 78 A E H 3>5S+ 0 0 14 1,-0.3 -37,-1.9 2,-0.2 4,-1.1 0.805 113.3 60.2 -52.7 -33.3 68.5 10.4 25.8 75 79 A D H 345S+ 0 0 27 -39,-0.3 -55,-2.0 1,-0.2 -39,-0.5 0.263 113.1 37.7 -83.9 17.9 68.5 6.6 25.6 76 80 A H H <45S+ 0 0 0 -3,-2.2 -41,-3.4 -41,-0.3 -2,-0.2 0.523 138.2 9.4-133.1 -28.9 72.1 6.7 24.5 77 81 A I H ><5S+ 0 0 1 -4,-1.8 3,-1.4 -43,-0.2 -3,-0.2 0.480 99.7 96.8-128.7 -13.2 73.7 9.5 26.5 78 82 A G T 3<> S+ 0 0 0 -44,-1.8 4,-2.6 -5,-0.2 3,-1.9 0.671 84.0 89.3 -93.3 -17.4 72.5 8.2 31.7 80 84 A L H <> S+ 0 0 0 -3,-1.4 4,-2.2 -45,-1.0 -1,-0.2 0.796 77.2 63.2 -49.9 -38.7 76.1 9.4 31.5 81 85 A P H 34 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.797 117.4 31.5 -60.7 -24.0 75.6 12.3 34.1 82 86 A F H <> S+ 0 0 31 -3,-1.9 4,-1.2 -4,-0.1 -2,-0.2 0.845 120.5 49.2 -96.6 -45.9 74.9 9.6 36.6 83 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.873 103.3 58.0 -64.9 -44.0 77.0 6.7 35.4 84 88 A L H X>S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-1.2 0.940 109.0 44.9 -55.9 -50.0 80.4 8.6 34.9 85 89 A P H 45S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.844 112.3 54.1 -64.1 -30.2 80.5 9.7 38.6 86 90 A X H <5S+ 0 0 64 -4,-1.2 -2,-0.2 2,-0.1 -3,-0.1 0.839 120.0 31.6 -70.1 -33.6 79.5 6.2 39.7 87 91 A I H <5S+ 0 0 6 -4,-2.0 -3,-0.2 -3,-0.3 -1,-0.1 0.903 140.1 10.2 -91.2 -49.6 82.4 4.6 37.7 88 92 A F T <5S- 0 0 29 -4,-3.1 3,-0.4 1,-0.3 2,-0.3 0.622 94.8-133.1-107.6 -19.9 85.2 7.2 37.7 89 93 A G < - 0 0 27 -5,-1.2 -1,-0.3 1,-0.2 -2,-0.2 -0.732 63.9 -21.8 101.3-151.3 84.1 9.8 40.3 90 94 A K S S+ 0 0 154 -2,-0.3 2,-0.3 -5,-0.1 -1,-0.2 0.661 130.8 19.5 -72.2 -17.7 84.2 13.6 39.7 91 95 A E + 0 0 123 -3,-0.4 29,-0.2 -7,-0.1 28,-0.1 -0.982 59.8 179.4-150.5 160.7 86.8 13.3 37.0 92 96 A S E - f 0 120A 14 27,-1.6 29,-0.6 -2,-0.3 -3,-0.0 -0.969 28.1-147.5-163.1 148.2 88.4 10.9 34.6 93 97 A P E + 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.566 62.3 124.2 -89.9 -16.2 91.2 10.8 31.9 94 98 A V E - 0 0 17 1,-0.1 27,-0.5 -28,-0.1 2,-0.2 -0.208 69.7-112.7 -53.3 128.0 89.2 8.2 29.9 95 99 A P E - f 0 121A 32 0, 0.0 -28,-2.6 0, 0.0 2,-0.6 -0.451 28.1-166.3 -66.8 125.9 88.5 9.2 26.3 96 100 A I E -ef 67 122A 2 25,-2.8 27,-2.1 -2,-0.2 2,-0.2 -0.920 13.5-159.8-116.0 100.9 84.8 9.8 25.7 97 101 A Y E +ef 68 123A 34 -30,-2.5 -28,-2.2 -2,-0.6 2,-0.3 -0.572 25.8 133.0 -87.0 145.6 84.2 9.9 21.9 98 102 A G E - f 0 124A 0 25,-1.4 27,-2.3 -2,-0.2 -28,-0.1 -0.946 51.1 -87.8-177.8 160.4 81.2 11.5 20.1 99 103 A A > - 0 0 6 -30,-0.4 4,-3.0 51,-0.3 5,-0.4 -0.258 51.9 -93.5 -75.2 167.9 80.2 13.8 17.3 100 104 A R H > S+ 0 0 105 25,-0.5 4,-2.3 1,-0.2 5,-0.1 0.900 125.1 39.6 -48.3 -54.1 79.9 17.5 17.7 101 105 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.895 114.1 54.9 -66.4 -40.2 76.1 17.6 18.5 102 106 A T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.955 115.4 37.8 -58.0 -51.9 76.4 14.4 20.6 103 107 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.852 111.5 61.4 -70.2 -31.5 79.0 15.9 22.9 104 108 A G H X S+ 0 0 7 -4,-2.3 4,-1.5 -5,-0.4 -2,-0.2 0.944 109.5 40.5 -58.1 -48.5 77.4 19.3 22.7 105 109 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.888 113.0 55.9 -67.7 -39.0 74.2 17.9 24.3 106 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 3,-0.2 0.932 106.2 49.5 -59.6 -47.0 76.3 15.8 26.8 107 111 A R H X S+ 0 0 111 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.887 105.9 57.8 -59.8 -38.9 78.2 18.9 28.1 108 112 A G H X S+ 0 0 10 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.907 112.9 40.3 -57.3 -41.5 74.9 20.7 28.6 109 113 A K H X S+ 0 0 17 -4,-1.7 4,-0.8 -3,-0.2 -2,-0.2 0.919 113.5 51.0 -73.1 -48.9 73.8 17.9 30.8 110 114 A L H ><>S+ 0 0 12 -4,-2.9 5,-2.1 1,-0.2 3,-1.7 0.946 111.5 49.2 -54.6 -50.5 77.1 17.3 32.7 111 115 A E H ><5S+ 0 0 127 -4,-2.8 3,-2.5 1,-0.3 -1,-0.2 0.934 105.2 58.7 -53.7 -47.7 77.2 21.0 33.4 112 116 A E H 3<5S+ 0 0 86 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.671 105.0 51.7 -57.0 -18.8 73.7 20.9 34.7 113 117 A F T <<5S- 0 0 93 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.306 123.5-100.6-102.1 6.9 74.8 18.3 37.2 114 118 A G T < 5S+ 0 0 69 -3,-2.5 2,-0.7 1,-0.3 -3,-0.2 0.508 70.5 151.3 88.4 3.8 77.6 20.3 38.6 115 119 A L < - 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